(3-hydroxy-2-methylpropyl)-trimethylazanium

C7H18NO+ — CID 14718015

IUPAC(3-hydroxy-2-methylpropyl)-trimethylazanium
SMILESCC(CO)C[N+](C)(C)C
InChIInChI=1S/C7H18NO/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3/q+1
InChIKeyDJBFBCSZISUFBN-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.32
Rot. Bonds3

About (3-hydroxy-2-methylpropyl)-trimethylazanium

(3-hydroxy-2-methylpropyl)-trimethylazanium (PubChem CID 14718015) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is (3-hydroxy-2-methylpropyl)-trimethylazanium.

Molecular Properties

Compound Name(3-hydroxy-2-methylpropyl)-trimethylazanium
PubChem CID14718015
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Name(3-hydroxy-2-methylpropyl)-trimethylazanium
SMILESCC(CO)C[N+](C)(C)C
InChIInChI=1S/C7H18NO/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3/q+1
InChIKeyDJBFBCSZISUFBN-UHFFFAOYSA-N
XLogP0.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-(Diethylamino)-1-propanol
CID 12159
3-(Dimethylamino)-1-propanol
CID 76646
1-Propanol, 3-(dibutylamino)-
CID 74905
(3-Hydroxypropyl)trimethylammonium chloride
CID 23168
3-(Diethylamino)-2,2-dimethylpropan-1-ol
CID 295965
3-(Dimethylamino)-2,2-dimethyl-1-propanol
CID 87919
1-Propanol, 3-(dipropylamino)-
CID 214730
Homocholine
CID 23169
3,3'-(Methylazanediyl)bis(propan-1-ol)
CID 228352
3-(Dimethylamino)-1-propanol hydrochloride
CID 18784220
3-(Methyl(propan-2-yl)amino)propan-1-ol
CID 22218547
(1-Methylazetidin-3-yl)methanol
CID 22967022

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methylpropyl)-trimethylazanium?
The IUPAC name of (3-hydroxy-2-methylpropyl)-trimethylazanium (CID 14718015) is (3-hydroxy-2-methylpropyl)-trimethylazanium.
What is the SMILES notation for (3-hydroxy-2-methylpropyl)-trimethylazanium?
The canonical SMILES for (3-hydroxy-2-methylpropyl)-trimethylazanium is CC(CO)C[N+](C)(C)C.
What is the InChIKey of (3-hydroxy-2-methylpropyl)-trimethylazanium?
The InChIKey is DJBFBCSZISUFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3/q+1.
What are the key properties of (3-hydroxy-2-methylpropyl)-trimethylazanium?
(3-hydroxy-2-methylpropyl)-trimethylazanium has a molecular weight of 132.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methylpropyl)-trimethylazanium is sourced from PubChem (CID 14718015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).